DrugPath: Mapping Drug-Target Interaction Networks

Explore DrugPath, a biomedical tool for drug repurposing that maps direct and indirect drug-target interactions using DepMap, PubChem, and SIGNOR data.

#drug-repurposing#biomedical-data-science#bioinformatics#drug-target-interaction#signaling-pathways#precision-medicine#pharma#health-tech

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DrugPath

Drug-Target Interaction Network

Which approved drugs interact with which human proteins and genes?

Biomedical Data Science Project · 2026

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Where do we start?

Drug Repurposing is Faster & Cheaper

Developing new drugs takes 10+ years. Repurposing approved compounds dramatically cuts time and cost.

Manual Search Doesn't Scale

Thousands of drugs and genes — manual literature search is impractical and error-prone.

Indirect Effects Are Overlooked

Signaling pathways mean a drug can affect a gene it doesn't directly bind — these indirect effects are often missed.

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Where does the data come from?

DepMap PRISM

8,000+ compounds screened across cancer cell lines

8,000+ compounds

PDBsum

3D protein-ligand binding structures and interaction summaries

PubChem

Physical binding & biological interactions filtered for Homo sapiens

SIGNOR

Human protein-protein signaling network for upstream pathway analysis

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What we built

Merged Drug Lists

Combined DepMap PRISM and PDBsum compound datasets into a unified drug list.

PubChem API Lookup

Automated API queries for each drug to retrieve interaction records.

Collected Interaction Data

Captured physical binding interactions and biological activity data.

Homo sapiens Verification

Validated all targets against UniProt and PDB APIs for human specificity.

SIGNOR Integration

Added upstream protein-protein signaling network for indirect target discovery.

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Going beyond direct targets

The SIGNOR protein-protein interaction network allows DrugPath to trace indirect drug effects through upstream signaling partners — revealing hidden therapeutic opportunities.

Drug A

inhibits

Protein X

activates

Protein Y

∴ Drug A indirectly affects Protein Y

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Why does this matter clinically?

Clinical Scenario

A clinician identifies overexpression of gene X in a patient

Queries DrugPath

Instantly receives a ranked list of approved candidate drugs.

Direct & Indirect Targets

Covers both direct binders and upstream signaling partners.

Personalized Treatment

Supports data-driven, patient-specific therapy decisions.

No New Development

Leverages existing approved drugs — faster path to treatment.

Scalable Queries

Works across thousands of drugs and genes simultaneously.

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